NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 P 4.4695 0.0000 0.0000 61.5463 34.0372 178.7685 9 S 4.3469 7.9679 122.2887 57.7303 64.5853 171.8609 10 D 4.6942 9.5581 116.5237 55.2675 42.9981 176.0039 11 M 4.3099 7.7934 118.4560 53.2664 33.1514 173.8192 12 P 4.6229 0.0000 0.0000 63.2532 32.5725 175.4337 13 V 5.0789 8.6887 122.6736 60.2880 35.3093 173.8955 14 A 4.9608 9.0912 124.5158 50.9853 23.2819 174.9528 15 H 4.8835 9.2273 121.8564 55.1648 32.3121 172.5883 16 V 4.8704 8.8072 119.3404 59.7048 34.8076 175.3563 17 V 5.4746 8.7045 114.2094 59.3485 36.1139 175.1812 18 A 4.3624 8.6443 124.9609 52.2236 19.2689 177.0530 19 N 4.5260 9.3574 122.2609 51.8502 39.1714 174.2697 20 P 2.9700 0.0000 0.0000 65.1027 31.4123 177.3341 21 Q 3.9052 7.8523 116.0360 56.6297 28.8134 175.8593 22 A 4.1666 7.4470 122.1381 50.6058 17.8939 176.8281 23 E 3.8864 8.7712 123.9151 58.0395 30.5693 177.5012 24 G 3.9911 8.7555 116.4933 45.2232 0.0000 172.6400 25 Q 4.2683 7.1199 113.1356 55.0252 32.3941 172.8022 26 L 3.8419 8.5616 127.7004 54.7770 41.9898 175.6252 27 Q 4.5854 8.0785 128.2876 53.8345 31.2659 174.3349 28 W 5.2193 9.1514 128.0587 56.8319 29.9677 176.3070 29 K 4.7086 9.7165 122.9321 54.8866 36.5604 175.3226 30 N 5.2130 8.9156 121.8567 52.2474 38.6942 173.3618 31 A 4.4531 7.9759 127.0689 50.8116 22.4881 172.3357 32 G 3.8896 8.9743 118.8602 44.3997 0.0000 173.1246 33 A 4.2074 8.3137 125.4514 53.4006 18.9195 177.0162 34 N 4.4306 8.9523 113.2527 53.5206 35.6745 174.2619 35 A 5.0028 7.3697 117.1707 50.1938 22.1418 176.0716 36 L 4.7309 8.2094 119.7566 52.8986 46.2587 175.4777 37 L 5.2078 8.1018 116.9871 54.8920 43.6851 172.2954 38 A 4.5749 8.7306 126.5786 49.9068 23.8335 175.0684 39 N 4.2848 9.9555 112.6511 54.9100 36.0323 175.9613 40 G 4.0473 8.5162 106.2014 45.1035 0.0000 174.8759 41 V 4.0368 7.5127 119.9253 62.7621 32.2666 174.9920 42 E 4.7602 8.6497 126.7453 54.4260 33.1692 174.7477 43 L 5.0037 8.4325 124.6947 53.7773 43.1565 175.8642 44 R 4.6055 8.8509 125.1058 55.8193 34.1431 175.3311 45 D 4.3771 9.6636 119.2610 55.6731 38.3879 174.1446 46 N 4.5331 8.4455 113.4710 54.1135 38.0668 172.8131 47 Q 5.0361 8.6582 115.4622 54.0499 33.1478 174.4374 48 L 4.6263 8.9182 123.0972 54.2282 43.0592 175.8698 49 V 4.6550 8.7359 125.5500 61.3131 33.1228 174.9668 50 V 4.1333 8.4294 128.6830 60.3772 32.3799 175.5405 51 P 4.0592 0.0000 0.0000 64.5644 32.0962 175.8699 52 S 4.7933 7.4950 111.6401 56.1083 66.2999 173.8191 53 E 4.3534 9.1144 122.4097 55.9863 30.2141 176.2359 54 G 4.0764 8.2909 113.8134 46.2868 0.0000 171.0510 55 L 5.0819 7.6958 119.8718 54.1736 43.1373 175.7781 56 Y 5.0574 9.4776 122.1119 55.8442 41.2469 174.8770 57 L 4.7385 8.5471 126.2251 55.1618 43.6488 175.5681 58 I 5.2863 9.4724 126.8496 59.8220 40.9157 173.9896 59 Y 5.3076 8.3472 122.8697 56.3424 41.7044 173.4969 60 S 4.8301 8.6983 114.8689 57.3497 66.7355 172.5776 61 Q 4.9765 9.1160 125.6030 54.4168 32.4338 174.2038 62 V 4.6385 8.3320 117.5700 59.2783 36.4066 174.2193 63 L 4.8527 7.9146 123.7050 53.4926 44.9301 175.4318 64 F 5.5342 8.8291 125.1680 56.8061 41.7550 174.7500 65 S 4.1771 8.1960 114.4782 58.7748 66.1156 173.7081 66 G 3.3747 5.8621 105.2871 45.0189 0.0000 173.8886 67 Q 4.0597 8.5744 121.7433 57.6968 29.7189 175.3783 68 G 4.2832 7.5460 103.7194 44.5884 0.0000 171.0264 69 C 4.9149 8.7637 117.0060 54.3506 39.9407 171.9626 70 P 4.4617 0.0000 0.0000 63.2825 31.0581 177.2321 71 S 4.0251 8.8553 117.1017 61.1963 63.0018 174.8515 72 T 4.5900 6.9957 114.8336 61.2487 70.7674 173.8040 73 H 4.1173 8.6006 122.1750 56.1581 29.2220 174.9266 74 V 4.3582 8.0163 123.4158 60.9559 33.9432 174.3154 75 L 4.5653 8.3976 127.2858 53.3407 43.4151 175.6749 76 L 4.5554 8.9680 124.7654 53.0417 43.7343 175.7849 77 T 5.1648 8.7705 113.7514 60.3068 72.7015 172.5204 78 H 5.2591 8.8758 121.0309 55.3482 33.7634 171.9758 79 T 5.0224 8.8982 118.9518 60.7967 71.4495 172.0059 80 I 4.8173 8.5934 128.5042 59.6903 39.8953 174.8505 81 S 5.0326 8.7641 121.8152 56.6357 67.1249 172.9354 82 R 4.5151 9.0206 124.6156 55.3626 31.4679 175.1091 83 I 4.4606 8.9476 128.3778 59.7403 37.9211 176.1979 84 A 4.2027 8.4726 130.7867 54.4192 19.1693 177.9395 85 V 4.2910 7.1080 106.2445 60.0388 35.5294 174.7103 86 S 4.0651 8.6702 119.2874 61.9210 62.6901 175.6347 87 Y 4.4296 7.1255 115.3342 57.8870 38.5839 175.2216 88 Q 4.5444 6.9644 120.0250 54.3426 30.3165 175.3186 89 T 4.0114 8.2406 116.2795 61.0801 68.0802 172.3339 90 P 4.4617 0.0000 0.0000 63.3581 32.3537 175.4824 91 V 4.2756 8.4837 123.5203 60.8538 33.6745 174.4237 92 N 4.6589 8.7756 125.4808 54.1162 38.2738 174.6490 93 L 4.0413 8.7864 125.3257 56.5504 42.8661 177.8172 94 L 4.7073 7.4599 118.8707 53.2914 45.5968 175.4047 95 S 5.1443 8.6843 117.6996 56.7595 65.8839 172.7693 96 A 4.8099 8.9067 126.5959 50.7096 22.7562 175.0502 97 I 4.9211 8.3607 120.6086 59.7980 40.3554 175.2384 98 R 4.8075 9.0542 122.7980 54.7297 33.8422 174.6969 99 S 4.5545 8.2453 115.3815 55.9716 65.1165 172.8737 100 P 3.7571 0.0000 0.0000 64.8187 30.9672 177.5436 101 C 4.6896 7.0813 115.3755 55.0937 43.6635 174.0385 102 Q 3.7023 8.7098 124.2317 58.6100 28.5342 176.1786 *111 A 4.0900 7.6153 119.9082 51.8633 18.5572 173.6300 112 N 4.8449 8.2814 118.5988 51.6490 39.0107 173.1288 113 P 4.6574 0.0000 0.0000 62.4926 32.2265 175.7036 114 W 5.3418 8.2860 120.0327 54.9173 31.7326 173.6783 115 Y 5.3410 8.9601 118.4888 56.6624 41.5096 175.2772 116 E 4.8231 9.5447 122.9029 54.4054 32.8322 172.4823 117 P 5.1431 0.0000 0.0000 62.2563 33.2777 175.6268 118 I 4.6489 8.7609 123.0086 59.7800 40.0735 173.6364 119 Y 5.0311 8.8606 128.2078 55.7069 40.7828 174.5549 120 L 4.8453 7.6625 126.0458 52.9462 45.6266 175.9343 121 G 4.3098 8.7012 104.7961 45.8887 0.0000 172.7111 122 G 4.4127 9.7144 112.2516 45.4388 0.0000 171.5192 123 V 4.9025 7.8478 120.1354 61.2460 32.7396 174.9511 124 F 4.9324 9.5828 126.9342 55.3626 42.8365 174.2593 125 Q 4.6713 8.9520 124.6192 56.3913 29.6912 174.9136 126 L 5.0275 9.4775 125.3484 53.2007 46.8418 174.9526 127 E 5.0757 9.1999 119.1133 53.6473 33.3737 174.3676 128 P 4.5669 0.0000 0.0000 64.2509 31.8457 177.0866 129 G 3.9878 9.7667 112.7396 45.0782 0.0000 173.6166 130 D 4.5703 7.6292 119.5605 55.1434 42.3291 175.8757 131 R 4.9685 8.9723 120.8660 54.4043 33.1955 174.6875 132 L 5.2176 9.1261 124.5379 53.0461 43.9719 175.5686 133 S 5.0939 8.7461 118.6262 56.3694 66.0615 173.2183 134 A 4.7208 7.9327 123.7347 50.2224 20.4761 175.2798 135 E 4.8357 9.6246 121.4316 55.3389 33.6946 175.4773 136 I 5.1906 8.6133 117.0084 58.7693 39.4743 175.4839 137 N 4.5436 8.3551 119.9562 55.2638 38.0531 175.3906 138 R 4.6066 7.9483 118.8125 53.3514 32.1272 173.7317 139 P 4.4752 0.0000 0.0000 64.9222 31.8850 177.4971 140 D 4.5433 8.1097 116.2429 54.3870 39.3880 175.7235 141 Y 4.7508 7.7593 115.7370 57.6763 40.2616 175.1537 142 L 4.1908 7.9687 119.9734 54.8375 42.3381 175.9368 143 D 4.6217 8.1730 122.6070 52.2337 42.6564 175.8174 144 F 5.0534 8.3620 121.9202 57.2219 40.0852 176.8171 145 A 3.8450 8.6894 125.5450 54.2928 18.2738 178.1179 146 S 4.9014 7.3313 110.0175 56.6571 66.8980 174.6592 147 T 4.0889 8.8350 118.4236 66.4038 68.5489 176.6072 148 G 4.3525 7.9235 108.1911 45.2049 0.0000 173.2672 149 Q 4.6668 8.3003 117.0639 56.0239 30.9726 177.3852 150 V 4.7850 7.9271 118.9713 61.4060 34.5905 173.6929 151 Y 5.3518 8.7135 124.7318 56.4201 41.9137 173.3918 152 F 4.9352 8.9229 122.9518 56.9127 43.1839 173.3988 153 G 3.9027 8.5833 111.6919 46.1171 0.0000 171.5096 154 I 5.2161 8.6112 112.7875 59.7622 41.4897 173.6684 155 I 5.0777 8.7294 123.0841 59.3353 41.6237 173.9384 156 A 3.5428 8.8783 132.2521 51.7223 18.9118 177.3709 157 L 4.2569 8.1830 121.6185 54.7187 41.6016 176.5923 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 8 P 0.00 4.47 0.00 2.06 1.97 0.00 3.59 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 9 S 7.97 4.35 0.00 3.83 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 9.56 4.69 0.00 2.68 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 M 7.79 4.31 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 12 P 0.00 4.62 0.00 2.18 2.16 0.00 3.51 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.30 0.00 13 V 8.69 5.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.02 0.00 0.00 14 A 9.09 4.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 H 9.23 4.88 0.00 3.30 3.26 0.00 5.75 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.81 4.87 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.61 0.00 0.00 17 V 8.70 5.47 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.06 0.00 0.00 18 A 8.64 4.36 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 9.36 4.53 0.00 2.78 2.74 0.00 0.00 6.78 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 2.97 0.00 1.95 1.73 0.00 3.64 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.85 0.00 21 Q 7.85 3.91 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.02 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 22 A 7.45 4.17 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.77 3.89 0.00 1.92 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 24 G 8.76 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 7.12 4.27 0.00 1.94 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.00 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 26 L 8.56 3.84 0.00 1.46 1.29 0.64 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.08 4.59 0.00 2.04 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 28 W 9.15 5.22 0.00 3.32 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 9.72 4.71 0.00 1.64 1.68 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.52 7.81 30 N 8.92 5.21 0.00 2.72 2.78 0.00 0.00 6.73 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.98 4.45 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.97 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.31 4.21 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.95 4.43 0.00 2.92 2.99 0.00 0.00 6.61 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.37 5.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.21 4.73 0.00 1.63 1.55 0.93 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.10 5.21 0.00 1.56 1.52 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.73 4.57 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 9.96 4.28 0.00 3.00 2.91 0.00 0.00 7.14 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.52 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.51 4.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.99 0.00 0.00 42 E 8.65 4.76 0.00 1.86 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 43 L 8.43 5.00 0.00 1.61 1.59 1.02 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.85 4.61 0.00 1.86 1.75 0.00 3.52 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 45 D 9.66 4.38 0.00 2.76 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.45 4.53 0.00 2.90 3.03 0.00 0.00 7.04 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.66 5.04 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.46 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 48 L 8.92 4.63 0.00 1.33 1.33 -0.23 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.74 4.66 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.91 0.00 0.00 50 V 8.43 4.13 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.82 0.00 0.00 51 P 0.00 4.06 0.00 2.23 2.41 0.00 3.85 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.90 0.00 52 S 7.50 4.79 0.00 3.84 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.11 4.35 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.65 0.00 54 G 8.29 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.70 5.08 0.00 1.59 1.62 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 9.48 5.06 0.00 2.94 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.55 4.74 0.00 1.85 1.68 1.13 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 58 I 9.47 5.29 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.18 0.95 0.00 0.00 59 Y 8.35 5.31 0.00 3.16 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.70 4.83 0.00 3.67 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 9.12 4.98 0.00 1.78 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.47 0.00 0.00 0.00 0.00 0.00 2.14 2.52 0.00 62 V 8.33 4.64 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.55 0.00 0.00 63 L 7.91 4.85 0.00 1.80 1.41 1.04 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.83 5.53 0.00 3.29 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.20 4.18 0.00 2.72 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 5.86 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.57 4.06 0.00 1.91 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 68 G 7.55 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 C 8.76 4.91 0.00 2.99 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.46 0.00 2.48 2.41 0.00 3.74 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 71 S 8.86 4.03 0.00 3.88 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 T 7.00 4.59 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 73 H 8.60 4.12 0.00 3.10 3.16 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.02 4.36 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.91 0.00 0.00 75 L 8.40 4.57 0.00 1.46 1.46 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.97 4.56 0.00 1.12 0.43 0.48 -0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.77 5.16 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 78 H 8.88 5.26 0.00 3.41 3.21 0.00 5.77 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.90 5.02 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 80 I 8.59 4.82 1.70 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.23 0.81 0.00 0.00 81 S 8.76 5.03 0.00 3.64 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 9.02 4.52 0.00 1.67 1.69 0.00 2.98 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 83 I 8.95 4.46 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.60 0.85 0.00 0.00 84 A 8.47 4.20 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.11 4.29 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.08 0.00 0.00 86 S 8.67 4.07 0.00 3.88 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 7.13 4.43 0.00 3.03 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 6.96 4.54 0.00 1.84 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 89 T 8.24 4.01 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 90 P 0.00 4.46 0.00 1.93 1.94 0.00 3.68 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 91 V 8.48 4.28 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.95 0.00 0.00 92 N 8.78 4.66 0.00 2.59 2.73 0.00 0.00 7.11 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.79 4.04 0.00 0.96 0.33 0.35 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.46 4.71 0.00 1.47 1.53 1.10 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.68 5.14 0.00 3.78 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.91 4.81 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.36 4.92 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.70 0.85 0.00 0.00 98 R 9.05 4.81 0.00 1.64 1.66 0.00 3.41 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.82 0.00 99 S 8.25 4.55 0.00 3.65 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 3.76 0.00 0.74 0.49 0.00 3.53 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.10 0.00 101 C 7.08 4.69 0.00 2.75 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 8.71 3.70 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 *111 A 7.62 4.09 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 N 8.28 4.84 0.00 2.88 3.04 0.00 0.00 5.89 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.66 0.00 2.21 2.11 0.00 3.77 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 114 W 8.29 5.34 0.00 3.40 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Y 8.96 5.34 0.00 2.88 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 E 9.54 4.82 0.00 2.24 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.36 0.00 117 P 0.00 5.14 0.00 2.19 2.15 0.00 3.84 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 118 I 8.76 4.65 2.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.55 1.03 0.00 0.00 119 Y 8.86 5.03 0.00 3.04 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.66 4.85 0.00 1.61 1.40 0.91 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.70 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 9.71 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 7.85 4.90 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.93 0.00 0.00 124 F 9.58 4.93 0.00 3.07 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Q 8.95 4.67 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 126 L 9.48 5.03 0.00 1.39 1.42 0.40 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 127 E 9.20 5.08 0.00 1.98 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 128 P 0.00 4.57 0.00 2.04 2.17 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.19 0.00 129 G 9.77 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 7.63 4.57 0.00 2.60 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 R 8.97 4.97 0.00 1.67 1.90 0.00 3.06 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 132 L 9.13 5.22 0.00 1.60 1.69 0.76 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.75 5.09 0.00 4.13 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.93 4.72 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 E 9.62 4.84 0.00 1.87 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 136 I 8.61 5.19 2.17 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.57 0.97 0.00 0.00 137 N 8.36 4.54 0.00 2.73 2.99 0.00 0.00 6.72 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 R 7.95 4.61 0.00 1.90 2.35 0.00 3.43 0.00 0.00 3.32 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 139 P 0.00 4.48 0.00 2.20 2.31 0.00 3.74 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 140 D 8.11 4.54 0.00 2.53 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 7.76 4.75 0.00 3.17 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.97 4.19 0.00 1.39 0.72 0.85 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.17 4.62 0.00 2.55 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 F 8.36 5.05 0.00 3.18 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 A 8.69 3.84 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 S 7.33 4.90 0.00 4.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 T 8.84 4.09 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 148 G 7.92 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 8.30 4.67 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 150 V 7.93 4.79 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.91 0.00 0.00 151 Y 8.71 5.35 0.00 3.07 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 F 8.92 4.94 0.00 1.51 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 G 8.58 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 I 8.61 5.22 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.21 0.73 0.00 0.00 155 I 8.73 5.08 1.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.33 1.01 0.00 0.00 156 A 8.88 3.54 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 8.18 4.26 0.00 1.57 1.52 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.